SCHEMBL853787

SCHEMBL853787

COC(=O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
PLAAT3 P53816 1/20 0.51
PLAAT5 Q96KN8 1/20 0.51
PLAAT2 Q9NWW9 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PDPK1 O15530 1/20 0.49
PPARA Q07869 3/20 0.48
PPARD Q03181 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
PPARG P37231 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MLYCD O95822 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL30151162 0.94 FFAR1 (0.56) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6864427 0.90 HDAC1 (0.55) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL28191870 0.89 HDAC1 (0.57) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18002977 0.89 MAOB (0.63) FFAR1PPARAPPARDPPARG
SCHEMBL12465047 0.89 MCHR1 (0.57) FFAR1HDAC1HDAC8MEN1KMT2A
SCHEMBL10688441 0.85 MLYCD (0.60) MLYCD
SCHEMBL22922181 0.85 CYP4F2 (0.59) HRH3CYP4F2CYP4A11KMT2AF2RL1
SCHEMBL8337494 0.85 RXRA (0.56) FFAR1HDAC1HRH3
SCHEMBL2008590 0.84 NR1H4 (0.54) CYP4F2CYP4A11MEN1KMT2A
SCHEMBL23204032 0.84 CES2 (0.63) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2023-07-06 US disclosed
CN-115175907-A Substituted piperazine derivatives useful as T cell activators 百时美施贵宝公司 2022-10-11 CN disclosed
CN-111792990-A Unsaturated ketone compound, preparation method and application thereof 中国科学院上海药物研究所 2020-10-20 CN disclosed
WO-2019228299-A1 SYNTHESIS AND USES OF PEPTIDE BORATE ESTER COMPOUND 江苏正大丰海制药有限公司 (CN) 2019-12-05 WO disclosed
US-20190192475-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (DE) 2017-10-26 US disclosed
US-9724322-B2 4-(phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-08 US disclosed
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2016-07-14 US disclosed
EP-2227454-B1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
EP-2227454-B1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERIC TRISUBSTITUTED 3,4-DIHYDRO-ISOQUINOLINE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2015-09-30 EP disclosed
US-20080085927-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2008-04-10 US disclosed
US-7301050-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICAL N.V. (BE) 2007-11-27 US disclosed
US-7301050-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICAL N.V. (BE) 2007-11-27 US disclosed
EP-1670744-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACI DS AND ANALOGS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
EP-1667964-A2 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 EP disclosed
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-05-19 US disclosed
WO-2005042478-A2 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-12 WO disclosed
WO-2005030694-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-07 WO disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190192475-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FFAR1 34/4885PLAAT3 64/4885PLAAT5 108/4885
US-20080085927-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FFAR1 28/4885PLAAT3 69/4885PLAAT5 126/4885
US-20230210808-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FFAR1 34/4885PLAAT3 64/4885PLAAT5 108/4885
US-20170304254-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FFAR1 34/4885PLAAT3 64/4885PLAAT5 108/4885
US-20050107469-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD FFAR1 28/4885PLAAT3 69/4885PLAAT5 126/4885
US-20160199342-A1 4-(PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD FFAR1 34/4885PLAAT3 64/4885PLAAT5 108/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.